# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Bonny-G-Grigorev-P-Terentyev-D--W-H-He-2 # implementation = 2014--Bonny-G--W-H-He-2--LAMMPS--ipr1 # composition = H # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 1.101042500e+02 nan 0.72 nan nan nan nan nan nan nan nan 9.773310834e+01 nan 0.74 nan nan nan nan nan nan nan nan 8.667833271e+01 nan 0.76 nan nan nan nan nan 6.346699468e+01 nan nan 7.681752148e+01 nan 0.78 nan nan nan nan nan 5.661108883e+01 nan nan 6.804700203e+01 nan 0.80 nan nan nan nan nan 5.067518805e+01 nan nan 6.026499987e+01 nan 0.82 nan nan nan nan nan 4.551939585e+01 nan nan 5.337070643e+01 nan 0.84 nan nan nan nan nan 4.100493318e+01 nan nan 4.726508184e+01 nan 0.86 nan 6.757427471e+01 nan 1.112749009e+02 1.113433829e+02 3.701805949e+01 nan nan 4.186142616e+01 6.693071843e+01 0.88 nan 6.055422714e+01 nan 1.013015780e+02 1.013602700e+02 3.349575534e+01 6.116276214e+01 nan 3.708507543e+01 5.983801707e+01 0.90 nan 5.409653094e+01 nan 9.223844443e+01 9.227603144e+01 3.038154582e+01 5.451880616e+01 nan 3.286492329e+01 5.347661186e+01 0.92 nan 4.815455103e+01 nan 8.394421697e+01 8.396038690e+01 2.761933808e+01 4.854271932e+01 nan 2.913863338e+01 4.776555274e+01 0.94 nan 4.269711407e+01 nan 7.628799831e+01 7.629180337e+01 2.515324519e+01 4.317692770e+01 nan 2.585193067e+01 4.262790779e+01 0.96 nan 3.769975501e+01 nan 6.920561445e+01 6.920566586e+01 2.292772115e+01 3.836453506e+01 nan 2.295101692e+01 3.801230871e+01 0.98 6.266247358e+01 3.314040012e+01 5.437725457e+01 6.266216334e+01 6.266243535e+01 2.088714949e+01 3.404926235e+01 5.679472596e+01 2.038223474e+01 3.387885460e+01 1.00 5.662374992e+01 2.899670472e+01 4.882328473e+01 5.662399781e+01 5.662483228e+01 1.898433606e+01 3.018011089e+01 5.110872826e+01 1.809519476e+01 3.018798861e+01 1.02 5.105905281e+01 2.524658655e+01 4.368887488e+01 5.105995958e+01 5.106114033e+01 1.720559982e+01 2.671707216e+01 4.588334286e+01 1.605586735e+01 2.689956397e+01 1.04 4.593856197e+01 2.186832746e+01 3.895523399e+01 4.593996762e+01 4.594126368e+01 1.554572541e+01 2.362144374e+01 4.108710144e+01 1.423542072e+01 2.397392440e+01 1.06 4.123274591e+01 1.884029647e+01 3.460388244e+01 4.123419238e+01 4.123532083e+01 1.399962350e+01 2.085457298e+01 3.668864958e+01 1.260515857e+01 2.137162436e+01 1.08 3.691209854e+01 1.614092545e+01 3.061702509e+01 3.691320147e+01 3.691396042e+01 1.256259792e+01 1.837795186e+01 3.265695499e+01 1.113687205e+01 1.905326919e+01 1.10 3.294722616e+01 1.374909352e+01 2.697759489e+01 3.294774151e+01 3.294802362e+01 1.123054123e+01 1.615317871e+01 2.896459781e+01 9.811025948e+00 1.697968893e+01 1.12 2.930868925e+01 1.164399810e+01 2.366859941e+01 2.930852304e+01 2.930831963e+01 9.999470922e+00 1.415058182e+01 2.558661751e+01 8.617855080e+00 1.511173725e+01 1.14 2.596696445e+01 9.805126823e+00 2.067284138e+01 2.596632812e+01 2.596580529e+01 8.865404466e+00 1.235451154e+01 2.249861709e+01 7.548262703e+00 1.341055039e+01 1.16 2.289993449e+01 8.212302041e+00 1.797304938e+01 2.289927288e+01 2.289873614e+01 7.824347863e+00 1.075056986e+01 1.968150555e+01 6.593414583e+00 1.185141096e+01 1.18 2.009483945e+01 6.845393658e+00 1.555160112e+01 2.009447281e+01 2.009417002e+01 6.872099916e+00 9.324272573e+00 1.712234854e+01 5.744518199e+00 1.042664186e+01 1.20 1.753989992e+01 5.684199328e+00 1.339085770e+01 1.753994416e+01 1.753999994e+01 6.004282118e+00 8.061171061e+00 1.480866738e+01 4.992837226e+00 9.129703917e+00 1.22 1.522338235e+01 4.708282993e+00 1.147347631e+01 1.522381731e+01 1.522425236e+01 5.216607982e+00 6.946942797e+00 1.272800954e+01 4.329644910e+00 7.954073255e+00 1.24 1.313356397e+01 3.897150003e+00 9.782392934e+00 1.313429686e+01 1.313502975e+01 4.504941121e+00 5.967334171e+00 1.086799049e+01 3.746218327e+00 6.893258427e+00 1.26 1.125881227e+01 3.230193261e+00 8.300740175e+00 1.125967437e+01 1.126053647e+01 3.865333041e+00 5.108157345e+00 9.216101461e+00 3.233930653e+00 5.941038601e+00 1.28 9.587527680e+00 2.686775104e+00 7.011739705e+00 9.588288232e+00 9.589048784e+00 3.293924314e+00 4.355240831e+00 7.759694044e+00 2.784291618e+00 5.091323530e+00 1.30 8.107827378e+00 2.246252256e+00 5.898613844e+00 8.108296043e+00 8.108764707e+00 2.786856158e+00 3.695660311e+00 6.485907350e+00 2.388856989e+00 4.337929402e+00 1.32 6.807538509e+00 1.888581057e+00 4.944602534e+00 6.807619049e+00 6.807699589e+00 2.340287418e+00 3.121499065e+00 5.381907570e+00 2.040047800e+00 3.674575732e+00 1.34 5.674475105e+00 1.599966515e+00 4.133006769e+00 5.674167021e+00 5.673858936e+00 1.950437987e+00 2.626165915e+00 4.434866524e+00 1.733878331e+00 3.094977665e+00 1.36 4.696494208e+00 1.370529660e+00 3.447129840e+00 4.695881075e+00 4.695267942e+00 1.613530056e+00 2.203099177e+00 3.632026220e+00 1.467379943e+00 2.592893356e+00 1.38 3.861673123e+00 1.190507247e+00 2.870134605e+00 3.860855825e+00 3.860038527e+00 1.325645384e+00 1.845699035e+00 2.960788660e+00 1.237623406e+00 2.162301222e+00 1.40 3.158159473e+00 1.050153610e+00 2.385633413e+00 3.157230495e+00 3.156301516e+00 1.082768211e+00 1.547508550e+00 2.408586734e+00 1.041687740e+00 1.797249998e+00 1.42 2.574101294e+00 9.397230903e-01 1.982542794e+00 2.573144550e+00 2.572187805e+00 8.808808096e-01 1.302218573e+00 1.962853594e+00 8.766575531e-01 1.491789213e+00 1.44 2.097678782e+00 8.495889146e-01 1.652761066e+00 2.096769616e+00 2.095860449e+00 7.159654549e-01 1.103550094e+00 1.611043834e+00 7.396174518e-01 1.240032718e+00 1.46 1.717128243e+00 7.737036971e-01 1.388219702e+00 1.716333429e+00 1.715538615e+00 5.840044202e-01 9.452923435e-01 1.340649655e+00 6.276520439e-01 1.036206585e+00 1.48 1.420691627e+00 7.101432861e-01 1.180850177e+00 1.420069368e+00 1.419447109e+00 4.809799796e-01 8.213117954e-01 1.139192269e+00 5.378451082e-01 8.745481672e-01 1.50 1.196610880e+00 6.572118682e-01 1.022583963e+00 1.196210810e+00 1.195810740e+00 4.028744067e-01 7.254807908e-01 9.942279933e-01 4.672423326e-01 7.492948197e-01 1.52 1.033147846e+00 6.132235764e-01 9.053657972e-01 1.033006053e+00 1.032864261e+00 3.456699755e-01 6.517325352e-01 8.933141700e-01 4.128362348e-01 6.546938431e-01 1.54 9.186439379e-01 5.765323307e-01 8.211934645e-01 9.187630761e-01 9.188822143e-01 3.053489598e-01 5.951222273e-01 8.240344659e-01 3.716153816e-01 5.850323252e-01 1.56 8.414603249e-01 5.455019977e-01 7.620780124e-01 8.418046353e-01 8.421489457e-01 2.778936334e-01 5.516631733e-01 7.740613492e-01 3.405688742e-01 5.346070183e-01 1.58 7.899341917e-01 5.184964441e-01 7.200407599e-01 7.904320735e-01 7.909299553e-01 2.592914059e-01 5.174087556e-01 7.344757289e-01 3.166986200e-01 4.976667096e-01 1.60 7.523518724e-01 4.938795364e-01 6.872231307e-01 7.529259087e-01 7.534999450e-01 2.455897392e-01 4.884346519e-01 7.009086652e-01 2.970199122e-01 4.683584873e-01 1.62 7.189132233e-01 4.702641732e-01 6.571243760e-01 7.194996366e-01 7.200860499e-01 2.335150091e-01 4.614666247e-01 6.699472877e-01 2.790330994e-01 4.417764717e-01 1.64 6.874980884e-01 4.472859897e-01 6.283650511e-01 6.880470686e-01 6.885960488e-01 2.223542431e-01 4.358193699e-01 6.407387221e-01 2.621638901e-01 4.168547767e-01 1.66 6.579063197e-01 4.248702723e-01 6.008457166e-01 6.583820242e-01 6.588577287e-01 2.120344718e-01 4.114548411e-01 6.130700966e-01 2.463364996e-01 3.934875206e-01 1.68 6.299377674e-01 4.029806895e-01 5.744669318e-01 6.303183210e-01 6.306988747e-01 2.024827248e-01 3.883349912e-01 5.867334186e-01 2.314864563e-01 3.715688203e-01 1.70 6.033922815e-01 3.816111985e-01 5.491292559e-01 6.036697766e-01 6.039472716e-01 1.936260318e-01 3.664217731e-01 5.615573489e-01 2.175606529e-01 3.509927931e-01 1.72 5.780697121e-01 3.607682524e-01 5.247332483e-01 5.782502083e-01 5.784307046e-01 1.853914227e-01 3.456771395e-01 5.373876239e-01 2.045154738e-01 3.316535560e-01 1.74 5.537715319e-01 3.404585023e-01 5.011800054e-01 5.538748537e-01 5.539781754e-01 1.777059270e-01 3.260630435e-01 5.141061723e-01 1.923076018e-01 3.134457670e-01 1.76 5.303632493e-01 3.206939356e-01 4.783918210e-01 5.304149811e-01 5.304667128e-01 1.704965745e-01 3.075414379e-01 4.916585405e-01 1.808937196e-01 2.962854293e-01 1.78 5.077941152e-01 3.014935184e-01 4.563187099e-01 5.078151339e-01 5.078361525e-01 1.636903951e-01 2.900680449e-01 4.699967505e-01 1.702305100e-01 2.801164604e-01 1.80 4.860190338e-01 2.828779753e-01 4.349125584e-01 4.860248019e-01 4.860305700e-01 1.572144182e-01 2.735735877e-01 4.490728244e-01 1.602737957e-01 2.648846619e-01 1.82 4.649929093e-01 2.648775187e-01 4.141252527e-01 4.649934750e-01 4.649940408e-01 1.509956738e-01 2.579825204e-01 4.288387843e-01 1.509653057e-01 2.505358358e-01 1.84 4.446706458e-01 2.475093609e-01 3.939087113e-01 4.446706458e-01 4.446706458e-01 1.449612239e-01 2.432197511e-01 4.092466521e-01 1.422352559e-01 2.370157838e-01 1.86 4.250071473e-01 2.307866210e-01 3.742309414e-01 4.250071473e-01 4.250071473e-01 1.390542193e-01 2.292206725e-01 3.902484501e-01 1.340184410e-01 2.242703076e-01 1.88 4.059573182e-01 2.147224180e-01 3.551020122e-01 4.059573182e-01 4.059573182e-01 1.332598727e-01 2.159311899e-01 3.717962002e-01 1.262711619e-01 2.122452092e-01 1.90 3.874760624e-01 1.993298709e-01 3.365387816e-01 3.874760624e-01 3.874760624e-01 1.275701855e-01 2.032984790e-01 3.538419246e-01 1.189555993e-01 2.008862902e-01 1.92 3.695182842e-01 1.846220990e-01 3.185551466e-01 3.695182842e-01 3.695182842e-01 1.219771591e-01 1.912776373e-01 3.363376452e-01 1.120339339e-01 1.901393525e-01 1.94 3.520388877e-01 1.706122211e-01 3.011381038e-01 3.520388877e-01 3.520388877e-01 1.164727950e-01 1.798282374e-01 3.192353841e-01 1.054683465e-01 1.799501979e-01 1.96 3.349927770e-01 1.573133564e-01 2.842603048e-01 3.349927770e-01 3.349927770e-01 1.110490946e-01 1.689099025e-01 3.024949353e-01 9.922101788e-02 1.702646282e-01 1.98 3.183348563e-01 1.447370787e-01 2.678942668e-01 3.183348563e-01 3.183348563e-01 1.056980594e-01 1.584822555e-01 2.861085372e-01 9.325412881e-02 1.610284451e-01 2.00 3.020200295e-01 1.328729904e-01 2.520125072e-01 3.020200295e-01 3.020200295e-01 1.004116908e-01 1.485049198e-01 2.700768941e-01 8.752986002e-02 1.521874504e-01 2.02 2.860143139e-01 1.216957393e-01 2.365949521e-01 2.860143139e-01 2.860143139e-01 9.518569454e-02 1.389412225e-01 2.544058132e-01 8.201406247e-02 1.436930024e-01 2.04 2.703281761e-01 1.111851404e-01 2.216511606e-01 2.703281761e-01 2.703281761e-01 9.003059293e-02 1.297693079e-01 2.391215131e-01 7.669708877e-02 1.355186841e-01 2.06 2.549831961e-01 1.013223982e-01 2.071981006e-01 2.549831961e-01 2.549831961e-01 8.496061264e-02 1.209715872e-01 2.242553159e-01 7.158239894e-02 1.276436353e-01 2.08 2.400009535e-01 9.208871688e-02 1.932527399e-01 2.400009535e-01 2.400009535e-01 7.998998033e-02 1.125448990e-01 2.098385434e-01 6.667371995e-02 1.200469955e-01 2.10 2.254030281e-01 8.346530076e-02 1.798320462e-01 2.254030281e-01 2.254030281e-01 7.513292264e-02 1.044975609e-01 1.959025175e-01 6.197477877e-02 1.127079043e-01 2.12 2.112109996e-01 7.543335414e-02 1.669529875e-01 2.112109996e-01 2.112109996e-01 7.040366619e-02 9.683180954e-02 1.824785601e-01 5.748930239e-02 1.056055013e-01 2.14 1.974493129e-01 6.797408130e-02 1.546325313e-01 1.974493129e-01 1.974493129e-01 6.581643764e-02 8.954919130e-02 1.695997421e-01 5.322101777e-02 9.872465646e-02 2.16 1.841563909e-01 6.106868655e-02 1.428876456e-01 1.841563909e-01 1.841563909e-01 6.138546362e-02 8.265125264e-02 1.572942483e-01 4.917365189e-02 9.207819543e-02 2.18 1.713749123e-01 5.469837416e-02 1.317352982e-01 1.713749123e-01 1.713749123e-01 5.712497077e-02 7.613954003e-02 1.455679804e-01 4.535093172e-02 8.568745615e-02 2.20 1.591475573e-01 4.884434846e-02 1.211924569e-01 1.591475573e-01 1.591475573e-01 5.304918576e-02 7.001559995e-02 1.344242714e-01 4.175658427e-02 7.957377864e-02 2.22 1.475074054e-01 4.348661368e-02 1.112696892e-01 1.475074054e-01 1.475074054e-01 4.916913512e-02 6.427777875e-02 1.238632541e-01 3.839193643e-02 7.375370268e-02 2.24 1.364491368e-01 3.860037417e-02 1.019519632e-01 1.364491368e-01 1.364491368e-01 4.548304561e-02 5.891162299e-02 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